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3958-03-0 | Tetrabromothiophene
CAS No: 3958-03-0 Catalog No: AG0035NN MDL No:MFCD00005419
Product Description
Catalog Number:
AG0035NN
Chemical Name:
Tetrabromothiophene
CAS Number:
3958-03-0
Molecular Formula:
C4Br4S
Molecular Weight:
399.7238
MDL Number:
MFCD00005419
IUPAC Name:
2,3,4,5-tetrabromothiophene
InChI:
InChI=1S/C4Br4S/c5-1-2(6)4(8)9-3(1)7
InChI Key:
AVPWUAFYDNQGNZ-UHFFFAOYSA-N
SMILES:
Brc1sc(c(c1Br)Br)Br
EC Number:
223-554-7
NSC Number:
65427
Properties
Complexity:
96.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.641g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.72g/mol
Monoisotopic Mass:
395.645g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
Literature
| Title | Journal |
|---|---|
| Efficient synthesis of thieno[3,2-b:4,5-b']diindoles and benzothieno[3,2-b]indoles by Pd-catalyzed site-selective C-C and C-N coupling reactions. | Organic & biomolecular chemistry 20121207 |
| Selective mono- to perarylations of tetrabromothiophene by a cyclobutene-1,2-diylbisimidazolium preligand. | The Journal of organic chemistry 20110916 |
| 2,3,4-Tribromo-thio-phene. | Acta crystallographica. Section E, Structure reports online 20080401 |
| Structures of tetrabromothiophene and tetrabromoselenophene: the influence of the heteroatom on the heterophene packing. | Acta crystallographica. Section B, Structural science 20071001 |
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